N-(3-aminopropyl)-2-[bis(3-methylbutyl)amino]-N-methylacetamide

C16H35N3O — CID 107869399

IUPACN-(3-aminopropyl)-2-[bis(3-methylbutyl)amino]-N-methylacetamide
SMILESCC(C)CCN(CCC(C)C)CC(=O)N(C)CCCN
InChIInChI=1S/C16H35N3O/c1-14(2)7-11-19(12-8-15(3)4)13-16(20)18(5)10-6-9-17/h14-15H,6-13,17H2,1-5H3
InChIKeyDGPSMIWZUJHNNI-UHFFFAOYSA-N
MW285.48 g/mol
LogP2.19
Rot. Bonds11

About N-(3-aminopropyl)-2-[bis(3-methylbutyl)amino]-N-methylacetamide

N-(3-aminopropyl)-2-[bis(3-methylbutyl)amino]-N-methylacetamide (PubChem CID 107869399) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-[bis(3-methylbutyl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-[bis(3-methylbutyl)amino]-N-methylacetamide
PubChem CID107869399
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC NameN-(3-aminopropyl)-2-[bis(3-methylbutyl)amino]-N-methylacetamide
SMILESCC(C)CCN(CCC(C)C)CC(=O)N(C)CCCN
InChIInChI=1S/C16H35N3O/c1-14(2)7-11-19(12-8-15(3)4)13-16(20)18(5)10-6-9-17/h14-15H,6-13,17H2,1-5H3
InChIKeyDGPSMIWZUJHNNI-UHFFFAOYSA-N
XLogP2.19
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-2-[bis(3-methylbutyl)amino]-N-methylacetamide
CID 107869864
N-(3-aminopropyl)-N-methyl-2-[2-methylpropyl(pentan-3-yl)amino]acetamide
CID 79483679
N-(3-aminopropyl)-N-methyl-2-[propan-2-yl(propyl)amino]acetamide
CID 43269272
N-(3-aminopropyl)-N-methyl-2-[methyl(2-methylbutan-2-yl)amino]acetamide
CID 63983300
N-(3-aminopropyl)-2-[2-methoxyethyl(propan-2-yl)amino]-N-methylacetamide
CID 82949330
2-[3-aminopropyl(propyl)amino]-N,N-dimethylacetamide
CID 43137311
N-(3-aminopropyl)-N-methyl-2-(4-methylpentan-2-yloxy)acetamide
CID 43254258
N-methyl-N-(4-methylpentyl)-2-sulfanylacetamide
CID 115167449
4-amino-N-methyl-N-(2-methylpropyl)butanamide
CID 43272157
N-(3-aminopropyl)-N-methyl-3-[methyl(2-methylbutyl)amino]propanamide
CID 43295435
N-methyl-N-[2-[methyl-[2-[methyl(4-methylpentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(sulfanylmethyl)amino]acetamide
CID 166733349
N-(3-aminopropyl)-3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-methylpropanamide
CID 43588549

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-[bis(3-methylbutyl)amino]-N-methylacetamide?
The IUPAC name of N-(3-aminopropyl)-2-[bis(3-methylbutyl)amino]-N-methylacetamide (CID 107869399) is N-(3-aminopropyl)-2-[bis(3-methylbutyl)amino]-N-methylacetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-[bis(3-methylbutyl)amino]-N-methylacetamide?
The canonical SMILES for N-(3-aminopropyl)-2-[bis(3-methylbutyl)amino]-N-methylacetamide is CC(C)CCN(CCC(C)C)CC(=O)N(C)CCCN.
What is the InChIKey of N-(3-aminopropyl)-2-[bis(3-methylbutyl)amino]-N-methylacetamide?
The InChIKey is DGPSMIWZUJHNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O/c1-14(2)7-11-19(12-8-15(3)4)13-16(20)18(5)10-6-9-17/h14-15H,6-13,17H2,1-5H3.
What are the key properties of N-(3-aminopropyl)-2-[bis(3-methylbutyl)amino]-N-methylacetamide?
N-(3-aminopropyl)-2-[bis(3-methylbutyl)amino]-N-methylacetamide has a molecular weight of 285.48 g/mol, XLogP of 2.19, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-[bis(3-methylbutyl)amino]-N-methylacetamide is sourced from PubChem (CID 107869399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).